5-Hydroxy-7,11-dimethyldodec-10-en-3-one
Basic information
- CAS
68922-12-3- Standard SMILES
CCC(=O)CC(O)CC(C)CCC=C(C)C- InChIKey
LZCOUZAIBZKDOG-UHFFFAOYSA-N- Molecular formula
- C14H26O2
- Average molar mass
- 226.35 g/mol
- Monoisotopic mass
- 226.19328007
Names & identifiers
- Preferred name
- 5-Hydroxy-7,11-dimethyldodec-10-en-3-one
- IUPAC
- 5-hydroxy-7,11-dimethyldodec-10-en-3-one
- English name
- 5-hydroxy-7,11-dimethyldodec-10-en-3-one
- Molecular formula
- C14H26O2
- Molecular weight
- 226.35504
Names & synonyms
5-Hydroxy-7,11-dimethyldodec-10-en-3-one68922-12-310-Dodecen-3-one, 5-hydroxy-7,11-dimethyl-EINECS 272-984-1DTXSID305243010-Dodecen-3-one, 7,11-dimethyl-5-hydroxy-RefChem:536224DTXCID5031002272-984-1LZCOUZAIBZKDOG-UHFFFAOYSA-N7,11-dimethyl-5-hydroxy-10-dodecen-3-oneNS00036760
Show more names
5-Hydroxy-7,11-dimethyldodec-10-en-3-on5-hydroxy-7,11-dimethyl-10-Dodecen-3-one10-Dodecen-3-one,5-hydroxy-7,11-dimethyl-
Database identifiers
- CAS
68922-12-3- PubChem CID
- 111441
- DTXSID
DTXSID3052430- EC Number
- 272-984-1
- Nikkaji
- J332.735C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Experimental & physicochemical properties
FragrancesFragrance Ingredient (10-Dodecen-3-one, 5-hydroxy-7,11-dimethyl-) -> IFRA transparency List
Physicochemical properties
- LogP
- 3.544 · 3.544 (est)
- EPA Substance Registry System
- 10 · 10-Dodecen-3-one, 5-hydroxy-7,11-dimethyl- (68922-12-3)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 25 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 10-Dodecen-3-one, 5-hydroxy-7,11-dimethyl-
Other Safety InformationIMAP assessments - 10-Dodecen-3-one, 5-hydroxy-7,11-dimethyl-: Human health tier I assessment
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- Hazard statements
- H226
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing Information10-Dodecen-3-one, 5-hydroxy-7,11-dimethyl-: ACTIVE
Suppliers
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Related reactions
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Compound notes
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